Practical Aspects of Computational Chemistry: Methods, Concepts and Applications - Couverture rigide

9789048126866: Practical Aspects of Computational Chemistry: Methods, Concepts and Applications

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ISBN 10 : 904812686X ISBN 13 : 9789048126866

Editeur : Springer, 2009

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"Practical Aspects of Computational Chemistry" presents contributions on a range of aspects of Computational Chemistry applied to a variety of research fields. The chapters focus on recent theoretical developments which have been used to investigate structures and properties of large systems with minimal computational resources. Studies include those in the gas phase, various solvents, various aspects of computational multiscale modeling, Monte Carlo simulations, chirality, the multiple minima problem for protein folding, the nature of binding in different species and dihydrogen bonds, carbon nanotubes and hydrogen storage, adsorption and decomposition of organophosphorus compounds, X-ray crystallography, proton transfer, structure-activity relationships, a description of the REACH programs of the European Union for chemical regulatory purposes, reactions of nucleic acid bases with endogenous and exogenous reactive oxygen species and different aspects of nucleic acid bases, base pairs and base tetrads.

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�diteurSpringer
Date d'�dition2009
ISBN 10 904812686X
ISBN 13 9789048126866
ReliureReli�
Langueanglais
Nombre de pages465
�diteurLeszczynski Jerzy, Shukla Manoj
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ISBN 10 : 904812686X ISBN 13 : 9789048126866

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Practical Aspects of Computational Chemistry

Leszczynski, Jerzy|Shukla, Manoj K.

Edit� par Springer Netherlands, 2009

ISBN 10 : 904812686X ISBN 13 : 9789048126866

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Gebunden. Etat : New. Dieser Artikel ist ein Print on Demand Artikel und wird nach Ihrer Bestellung fuer Sie gedruckt. Provides a modern perspective of computational chemistry techniques used in a large range of sciencesAll contributions are from recognized, eminent scholars in their research fieldsApplications include atomic clusters, molecules, crystals, . N� de r�f. du vendeur 5817475

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Practical Aspects of Computational Chemistry

Manoj Shukla

Edit� par Springer Netherlands Nov 2009, 2009

ISBN 10 : 904812686X ISBN 13 : 9789048126866

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Buch. Etat : Neu. This item is printed on demand - it takes 3-4 days longer - Neuware -'Practical Aspects of Computational Chemistry' presents contributions on a range of aspects of Computational Chemistry applied to a variety of research fields.The chapters focus on recent theoretical developments which have been used to investigate structures and properties of large systems with minimal computational resources. Studies include those in the gas phase, various solvents, various aspects of computational multiscale modeling, Monte Carlo simulations, chirality, the multiple minima problem for protein folding, the nature of binding in different species and dihydrogen bonds, carbon nanotubes and hydrogen storage, adsorption and decomposition of organophosphorus compounds, X-ray crystallography, proton transfer, structure-activity relationships, a description of the REACH programs of the European Union for chemical regulatory purposes, reactions of nucleic acid bases with endogenous and exogenous reactive oxygen species and different aspects of nucleic acid bases, base pairs and base tetrads. 484 pp. Englisch. N� de r�f. du vendeur 9789048126866

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Practical Aspects of Computational Chemistry: Methods, Concepts and Applications

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Practical Aspects of Computational Chemistry

Manoj Shukla

Edit� par Springer Netherlands, Springer Netherlands Nov 2009, 2009

ISBN 10 : 904812686X ISBN 13 : 9789048126866

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Buch. Etat : Neu. Neuware -'Practical Aspects of Computational Chemistry' presents contributions on a range of aspects of Computational Chemistry applied to a variety of research fields. The chapters focus on recent theoretical developments which have been used to investigate structures and properties of large systems with minimal computational resources. Studies include those in the gas phase, various solvents, various aspects of computational multiscale modeling, Monte Carlo simulations, chirality, the multiple minima problem for protein folding, the nature of binding in different species and dihydrogen bonds, carbon nanotubes and hydrogen storage, adsorption and decomposition of organophosphorus compounds, X-ray crystallography, proton transfer, structure-activity relationships, a description of the REACH programs of the European Union for chemical regulatory purposes, reactions of nucleic acid bases with endogenous and exogenous reactive oxygen species and different aspects of nucleic acid bases, base pairs and base tetrads.Springer Verlag GmbH, Tiergartenstr. 17, 69121 Heidelberg 484 pp. Englisch. N� de r�f. du vendeur 9789048126866

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Practical Aspects of Computational Chemistry : Methods, Concepts and Applications

Manoj Shukla

Edit� par Springer Netherlands, Springer Netherlands, 2009

ISBN 10 : 904812686X ISBN 13 : 9789048126866

Neuf Couverture rigide

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Buch. Etat : Neu. Druck auf Anfrage Neuware - Printed after ordering - 'Practical Aspects of Computational Chemistry' presents contributions on a range of aspects of Computational Chemistry applied to a variety of research fields.The chapters focus on recent theoretical developments which have been used to investigate structures and properties of large systems with minimal computational resources. Studies include those in the gas phase, various solvents, various aspects of computational multiscale modeling, Monte Carlo simulations, chirality, the multiple minima problem for protein folding, the nature of binding in different species and dihydrogen bonds, carbon nanotubes and hydrogen storage, adsorption and decomposition of organophosphorus compounds, X-ray crystallography, proton transfer, structure-activity relationships, a description of the REACH programs of the European Union for chemical regulatory purposes, reactions of nucleic acid bases with endogenous and exogenous reactive oxygen species and different aspects of nucleic acid bases, base pairs and base tetrads. N� de r�f. du vendeur 9789048126866

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